- InChI
- InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
- InChI Key
- QGCCNWSXJHGUNL-UHFFFAOYSA-N
- Formula
- C7H7IO
- SMILES
- OCc1cccc(I)c1
- Molecular Weight1
- 234.03
- CAS
- 57455-06-8
- Other Names
-
- Benzyl alcohol, m-iodo-
- m-Iodobenzyl alcohol
- 3-Iodobenzyl alcohol
- (3-Iodophenyl)methanol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 32.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -38.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.17 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 1.784 | Crippen Calculated Property | |
| McVol | 117.420 | ml/mol | McGowan Calculated Property |
| Pc | 4420.84 | kPa | Joback Calculated Property |
| Tboil | 576.54 | K | Joback Calculated Property |
| Tc | 807.96 | K | Joback Calculated Property |
| Tfus | 326.47 | K | Joback Calculated Property |
| Vc | 0.426 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.33; 263.35] | J/mol×K | [576.54; 807.96] | 
|
| Cp,gas | 221.33 | J/mol×K | 576.54 | Joback Calculated Property |
| Cp,gas | 229.73 | J/mol×K | 615.11 | Joback Calculated Property |
| Cp,gas | 237.52 | J/mol×K | 653.68 | Joback Calculated Property |
| Cp,gas | 244.73 | J/mol×K | 692.25 | Joback Calculated Property |
| Cp,gas | 251.41 | J/mol×K | 730.82 | Joback Calculated Property |
| Cp,gas | 257.60 | J/mol×K | 769.39 | Joback Calculated Property |
| Cp,gas | 263.35 | J/mol×K | 807.96 | Joback Calculated Property |
| η | [0.0001284; 0.0071586] | Pa×s | [326.47; 576.54] |
|
| η | 0.0071586 | Pa×s | 326.47 | Joback Calculated Property |
| η | 0.0025061 | Pa×s | 368.15 | Joback Calculated Property |
| η | 0.0010861 | Pa×s | 409.83 | Joback Calculated Property |
| η | 0.0005493 | Pa×s | 451.50 | Joback Calculated Property |
| η | 0.0003117 | Pa×s | 493.18 | Joback Calculated Property |
| η | 0.0001932 | Pa×s | 534.86 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 576.54 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 525.20 | K | 94.80 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanol, 3-iodo-.
Sources
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